[gmx-users] how to select head groups of lipid within 10 angstrom of protein

[Justin Lemkul]

On 10/25/19 5:38 AM, Peter Stern wrote:
> You are probably causing your command to run in the background with “&”.  Try using “and” instead.

In addition to this, the selection string needs to be enclosed by single 
quotes.

-Justin

> Peter
>
> Sent from my iPhone
>
>> On Oct 25, 2019, at 11:45 AM, SHAHEE ISLAM <islamshahee at gmail.com> wrote:
>>
>> Hi,
>> I am trying to calculate the angle between P and N vector of my lipid
>> (popc+popg) with regards to the z axis to see how the protein is affecting
>> the membrane. I am using this command, but it does not working
>> gmx select -f *.xtc -s *.tpr -select POPG & name P* N* within 1.0 of
>> Protein -oi number.dat
>> but the problem is, when the command is running only
>>   gmx select -f *.xtc -s *.tpr -select POPG
>> this command.
>> Can anyone please guide me what i am doing wrong.
>> Thanking you
>> Shahee
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-- 
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Justin A. Lemkul, Ph.D.
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